CAS 1050886-63-9

2-(Phenylmethyl) 4-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate

Description:

2-(Phenylmethyl) 4-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate is a complex organic compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring system, making it an azabicyclic compound. The presence of a phenylmethyl group contributes to its aromatic characteristics, while the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The dicarboxylate functional groups indicate that the compound can participate in various chemical reactions, such as esterification or amidation. This compound may exhibit interesting pharmacological properties due to its structural features, which could interact with biological targets. Its unique combination of functional groups and bicyclic framework suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific physical properties such as solubility, melting point, and stability would require empirical measurement or detailed computational studies for precise characterization.

Formula: C₁₅H₁₄F₃NO₄

InChI: InChI=1S/C15H14F3NO4/c16-15(17,18)13-7-14(8-13,11(20)21)19(9-13)12(22)23-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,20,21)

InChI key: InChIKey=IMEZRXQEMZHPHF-UHFFFAOYSA-N

SMILES: C(O)(=O)C12N(C(OCC3=CC=CC=C3)=O)CC(C(F)(F)F)(C1)C2

Synonyms:

• 2-Azabicyclo[2.1.1]hexane-1,2-dicarboxylic acid, 4-(trifluoromethyl)-, 2-(phenylmethyl) ester
• 2-(Phenylmethyl) 4-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate